| PDB CCD ID: | 4DS |
| Number of entries in BioLiP: | 7 |
| Chemical formula: | C16 H10 N2 O6 S4 |
| InChI: | InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+ |
| InChIKey: | YSCNMFDFYJUPEF-OWOJBTEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S | | CACTVS 3.385 | O[S](=O)(=O)c1cc(ccc1C=Cc2ccc(cc2[S](O)(=O)=O)N=C=S)N=C=S | | ACDLabs 12.01 | O=S(=O)(O)c1cc(\N=C=S)ccc1\C=C\c2ccc(\N=C=S)cc2S(=O)(=O)O | | OpenEye OEToolkits 1.7.6 | c1cc(c(cc1N=C=S)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)N=C=S | | CACTVS 3.385 | O[S](=O)(=O)c1cc(ccc1/C=C/c2ccc(cc2[S](O)(=O)=O)N=C=S)N=C=S |
|
| Name: | 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid |
| ChEMBL: | CHEMBL1162148 |
| ZINC: | ZINC000006844860 |
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